3-BROMO-1,10-PHENANTHROLINE

The systematic name of 3-Bromo-1,10-phenanthroline is 3-bromo-1,10-phenanthroline. With the CAS registry number 66127-01-3, it is also named as 3-Bromophenanthroline. The product's category is Electronic Chemicals. Besides, this chemical is yellow crystalline powder, which should be stored in sealed containers in a cool, dry and dark place away from oxidizing agents and heat source. In addition, its molecular formula is C₁₂H₇BrN₂ and its molecular weight is 259.10.

The other characteristics of 3-Bromo-1,10-phenanthroline can be summarized as: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 67.83; (6)ACD/BCF (pH 7.4): 69.45; (7)ACD/KOC (pH 5.5): 707.24; (8)ACD/KOC (pH 7.4): 724.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.757; (14)Molar Refractivity: 65.81 cm³; (15)Molar Volume: 160.2 cm³; (16)Polarizability: 26.08×10^-24cm³; (17)Surface Tension: 64.1 dyne/cm; (18)Density: 1.616 g/cm³; (19)Flash Point: 194.4 °C; (20)Melting Point: 173 °C; (21)Enthalpy of Vaporization: 62.3 kJ/mol; (22)Boiling Point: 397.8 °C at 760 mmHg; (23)Vapour Pressure: 3.55E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc2cc3ccc1cccnc1c3nc2
(2)InChI: InChI=1/C12H7BrN2/c13-10-6-9-4-3-8-2-1-5-14-11(8)12(9)15-7-10/h1-7H
(3)InChIKey: OADZHFGJIVKDJN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H7BrN2/c13-10-6-9-4-3-8-2-1-5-14-11(8)12(9)15-7-10/h1-7H
(5)Std. InChIKey: OADZHFGJIVKDJN-UHFFFAOYSA-N